2-(4-aminopiperidin-1-yl)-N-phenylacetamide dihydrochloride

• ChemBase ID: 55256
• Molecular Formular: C13H21Cl2N3O
• Molecular Mass: 306.23134
• Monoisotopic Mass: 305.10616767
• SMILES: C(=O)(Nc1ccccc1)CN1CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)CC(=O)Nc1ccccc1.Cl.Cl
• InChI: InChI=1S/C13H19N3O.2ClH/c14-11-6-8-16(9-7-11)10-13(17)15-12-4-2-1-3-5-12;;/h1-5,11H,6-10,14H2,(H,15,17);2*1H
• InChIKey: XZOGUMKPIIDGSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminopiperidin-1-yl)-N-phenylacetamide dihydrochloride
• IUPAC Traditional name: 2-(4-aminopiperidin-1-yl)-N-phenylacetamide dihydrochloride
• Synonyms: 2-(4-Aminopiperidin-1-yl)-N-phenylacetamide dihydrochloride

Database IDs

• MDL Number: MFCD13857405
• PubChem SID: 162060019
• PubChem CID: 56773520

CALCULATED PROPERTIES

• Acid pKa: 13.501403
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.3882883
• LogD (pH = 7.4): -2.4114602
• Log P: 0.31363246
• Molar Refractivity: 69.7318 cm^3
• Polarizability: 26.74334 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false